5-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole

C14H21N5S2 — CID 133369902

IUPAC5-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
SMILESCc1nc(CN2CCN(c3nc(C(C)C)ns3)CC2)cs1
InChIInChI=1S/C14H21N5S2/c1-10(2)13-16-14(21-17-13)19-6-4-18(5-7-19)8-12-9-20-11(3)15-12/h9-10H,4-8H2,1-3H3
InChIKeyNBLCSCDFHOWVJD-UHFFFAOYSA-N
MW323.49 g/mol
LogP2.75
Rot. Bonds4

About 5-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole

5-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole (PubChem CID 133369902) has the molecular formula C14H21N5S2 and a molecular weight of 323.49 g/mol. Its IUPAC name is 5-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
PubChem CID133369902
Molecular FormulaC14H21N5S2
Molecular Weight323.49 g/mol
Exact Mass323.12
IUPAC Name5-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
SMILESCc1nc(CN2CCN(c3nc(C(C)C)ns3)CC2)cs1
InChIInChI=1S/C14H21N5S2/c1-10(2)13-16-14(21-17-13)19-6-4-18(5-7-19)8-12-9-20-11(3)15-12/h9-10H,4-8H2,1-3H3
InChIKeyNBLCSCDFHOWVJD-UHFFFAOYSA-N
XLogP2.75
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.49
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole with MolForge

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Related Compounds

2-methyl-4-[[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 133351975
2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738458
ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 143966374
2-methyl-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride
CID 46735539
5-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 71871479
2-amino-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one;hydrochloride
CID 119112229
2-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 90485341
4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 171701082
4-[[4-(3-bromo-2-pyridinyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 166600976
4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 154828993
2-amino-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 54872835
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 60643680

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole?
The IUPAC name of 5-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole (CID 133369902) is 5-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole?
The canonical SMILES for 5-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole is Cc1nc(CN2CCN(c3nc(C(C)C)ns3)CC2)cs1.
What is the InChIKey of 5-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole?
The InChIKey is NBLCSCDFHOWVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S2/c1-10(2)13-16-14(21-17-13)19-6-4-18(5-7-19)8-12-9-20-11(3)15-12/h9-10H,4-8H2,1-3H3.
What are the key properties of 5-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole?
5-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole has a molecular weight of 323.49 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 133369902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).